25812-76-4

25812-76-4 structure

25812-76-4 structure

Name: 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
Chemical Name: 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
CAS Number: 25812-76-4
Molecular Formula: C₁₀H₁₁N₃S
Molecular Weight: 205.27900
Create Date: 2018-11-27 16:41:56
Modify Date: 2024-02-26 18:38:44

Name	4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
Synonyms	4-methyl-3-phenyl-5-methylthio-4H-1,2,4-triazole 4-Methyl-5-methylthio-3-phenyl-1,2,4-triazol 3-Phenyl-4-methyl-5-methylmercapto-1,2,4-triazol

Density	1.21g/cm3
Boiling Point	387.9ºC at 760 mmHg
Molecular Formula	C₁₀H₁₁N₃S
Molecular Weight	205.27900
Flash Point	188.4ºC
Exact Mass	205.06700
PSA	56.01000
LogP	2.20400
Vapour Pressure	3.19E-06mmHg at 25°C
Index of Refraction	1.639

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ4961200

CHEMICAL NAME :: 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-

CAS REGISTRY NUMBER :: 25812-76-4

BEILSTEIN REFERENCE NO. :: 0168782

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H11-N3-S

MOLECULAR WEIGHT :: 205.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 37,125,1994

HS Code	2933990090

38942-51-7 structure

38942-51-7

74-88-4 structure

74-88-4

~70%

25812-76-4 structure

25812-76-4

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

58064-65-6 structure

58064-65-6

~%

25812-76-4 structure

25812-76-4

Literature: Hoggarth Journal of the Chemical Society, 1949 , p. 1918,1922

613-94-5 structure

613-94-5

~%

25812-76-4 structure

25812-76-4

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

Precursor 4
38942-51-7 74-88-4 $BUTTPARK 58\40-77 structure$ 58064-65-6 613-94-5
DownStream 1
116850-44-3

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%